SCHEMBL20178103

SCHEMBL20178103

CCNCC(Nc1ncnc2c(C(N)=O)ccnc12)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 1.00
RPS6KB1 P23443 10/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15762442 1.00 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL20178096 0.92 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL15762408 0.92 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL15762433 0.92 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL20178087 0.92 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL15762407 0.91 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL20178080 0.91 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL15762705 0.90 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL20178097 0.90 AKT1 (1.00) AKT1RPS6KB1
SCHEMBL15762436 0.89 AKT1 (1.00) AKT1RPS6KB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925747-B1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-24 EP disclosed
US-10233160-B2 Substituted pyrido[3,4-d]pyrimidines and pyrido[4,3-d]pyrimidines as p70S6K inhibitors MERCK PATENT GMBH (DE) 2019-03-19 US disclosed
US-20180237402-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2018-08-23 US disclosed
US-9981925-B2 Substituted benzo[d][1,2,3]triazines as p70S6K inhibitors MERCK PATENT GMBH (DE) 2018-05-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180237402-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES RPS6KA3, RPS6KA4, CDK4 AKT1 415/4885RPS6KB1 16/4885
US-10233160-B2 Substituted pyrido[3,4-d]pyrimidines and pyrido[4,3-d]pyrimidines as p70S6K inhibitors CDK4, CDK2, RPS6KA4 AKT1 372/4885RPS6KB1 17/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.